Task 38682623

Name test_938-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4377_0
Workunit 31624226
Created 27 Oct 2026, 8:25:51 UTC
Sent 27 Oct 2026, 8:25:54 UTC
Report deadline 1 Nov 2026, 8:25:54 UTC
Received 27 Oct 2026, 11:14:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 36 min 15 sec
CPU time 36 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.68 MB
Peak swap size 14.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:36:07 (6768): wrapper (7.9.26016): starting
12:36:07 (6768): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:36:11 (6768): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:36:11 (6768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\21\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\21\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:13:15 (6768): C:/Windows/system32/cmd.exe exited; CPU time 2175.640625
13:13:15 (6768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 52617547 bytes.
Dumping objects ->
{3835234} normal block at 0x0000014BC9331600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000014BC9331980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000014BC93312F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000014BC9331130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000014BC93311A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000014BC93DBE40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000014BC93DAB60, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x0000014BC753FB80, 8 bytes long.
 Data: <   &#201;K   > 00 00 03 C9 4B 01 00 00 
{3834543} normal block at 0x0000014BC93DB1F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000014BC753FB30, 8 bytes long.
 Data: < &#142;C&#201;K   > 00 8E 43 C9 4B 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000014BC7540020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014BC753BBF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000014BC7536210, 16 bytes long.
 Data: <X&T&#199;K           > 58 26 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014BC7535EF0, 16 bytes long.
 Data: <0&T&#199;K           > 30 26 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014BC753C7C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000014BC7536AD0, 16 bytes long.
 Data: < &T&#199;K           > 08 26 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014BC7535DB0, 16 bytes long.
 Data: <&#224;%T&#199;K           > E0 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014BC7536A80, 16 bytes long.
 Data: <&#184;%T&#199;K           > B8 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014BC7536A30, 16 bytes long.
 Data: <&#144;%T&#199;K           > 90 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014BC753AAA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000014BC7535E50, 16 bytes long.
 Data: < &#187;S&#199;K           > 88 BB 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014BC753BCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000014BC75367B0, 16 bytes long.
 Data: <`&#187;S&#199;K           > 60 BB 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014BC7536170, 16 bytes long.
 Data: <8&#187;S&#199;K           > 38 BB 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014BC7535D60, 16 bytes long.
 Data: < &#187;S&#199;K           > 10 BB 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014BC7536490, 16 bytes long.
 Data: <&#232;&#186;S&#199;K           > E8 BA 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014BC753FAE0, 16 bytes long.
 Data: <&#192;&#186;S&#199;K           > C0 BA 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014BC753FA90, 16 bytes long.
 Data: < &#186;S&#199;K           > 98 BA 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014BC753C820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000014BC753F720, 16 bytes long.
 Data: <p&#186;S&#199;K           > 70 BA 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014BC753BA70, 320 bytes long.
 Data: < &#247;S&#199;K    &#200;S&#199;K   > 20 F7 53 C7 4B 01 00 00 20 C8 53 C7 4B 01 00 00 
{267} normal block at 0x0000014BC753FA40, 16 bytes long.
 Data: <p%T&#199;K           > 70 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014BC753FE00, 16 bytes long.
 Data: <H%T&#199;K           > 48 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014BC753CAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000014BC753F9F0, 16 bytes long.
 Data: < %T&#199;K           > 20 25 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014BC753BD40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000014BC753FD60, 16 bytes long.
 Data: <h$T&#199;K           > 68 24 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014BC753FD10, 16 bytes long.
 Data: <@$T&#199;K           > 40 24 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014BC753F9A0, 16 bytes long.
 Data: < $T&#199;K           > 18 24 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014BC753FE50, 16 bytes long.
 Data: <&#240;#T&#199;K           > F0 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014BC753F900, 16 bytes long.
 Data: <&#200;#T&#199;K           > C8 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014BC753F860, 16 bytes long.
 Data: <&#160;#T&#199;K           > A0 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000014BC753F950, 16 bytes long.
 Data: < &#171;S&#199;K           > 10 AB 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014BC753AB10, 40 bytes long.
 Data: <P&#249;S&#199;K   @&#190;=&#201;K   > 50 F9 53 C7 4B 01 00 00 40 BE 3D C9 4B 01 00 00 
{253} normal block at 0x0000014BC753FC20, 16 bytes long.
 Data: <&#128;#T&#199;K           > 80 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000014BC753FBD0, 16 bytes long.
 Data: <X#T&#199;K           > 58 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000014BC753C400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000014BC753F810, 16 bytes long.
 Data: <0#T&#199;K           > 30 23 54 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000014BC7542330, 992 bytes long.
 Data: < &#248;S&#199;K    &#196;S&#199;K   > 10 F8 53 C7 4B 01 00 00 00 C4 53 C7 4B 01 00 00 
{85} normal block at 0x0000014BC753CA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000014BC75368A0, 16 bytes long.
 Data: <&#144;&#174;S&#199;K           > 90 AE 53 C7 4B 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000014BC753AE90, 40 bytes long.
 Data: <&#160;hS&#199;K    &#202;S&#199;K   > A0 68 53 C7 4B 01 00 00 00 CA 53 C7 4B 01 00 00 
{62} normal block at 0x0000014BC7536080, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014BC7536440, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014BC7535F90, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014BC7536030, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014BC7536620, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014BC7536B20, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014BC7536C10, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000014BC7536300, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000014BC7535EA0, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000014BC7536580, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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